4-[1-(cyclohexylmethoxy)ethyl]aniline

C15H23NO — CID 57106208

IUPAC4-[1-(cyclohexylmethoxy)ethyl]aniline
SMILESCC(OCC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H23NO/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11,16H2,1H3
InChIKeyWCPSGXPIAHTJDC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.93
Rot. Bonds4

About 4-[1-(cyclohexylmethoxy)ethyl]aniline

4-[1-(cyclohexylmethoxy)ethyl]aniline (PubChem CID 57106208) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[1-(cyclohexylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(cyclohexylmethoxy)ethyl]aniline
PubChem CID57106208
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-[1-(cyclohexylmethoxy)ethyl]aniline
SMILESCC(OCC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H23NO/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11,16H2,1H3
InChIKeyWCPSGXPIAHTJDC-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine
CID 21279082
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
4-[1-[cyclohexylmethyl(methyl)amino]ethyl]aniline
CID 61443836
1-(4-aminophenyl)ethyl cyclohexanecarboxylate
CID 54299285
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
4-[1-(cyclopentylamino)ethyl]aniline
CID 82933347
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61263886
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclohexylmethoxy)ethyl]aniline?
The IUPAC name of 4-[1-(cyclohexylmethoxy)ethyl]aniline (CID 57106208) is 4-[1-(cyclohexylmethoxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(cyclohexylmethoxy)ethyl]aniline?
The canonical SMILES for 4-[1-(cyclohexylmethoxy)ethyl]aniline is CC(OCC1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(cyclohexylmethoxy)ethyl]aniline?
The InChIKey is WCPSGXPIAHTJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(14-7-9-15(16)10-8-14)17-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11,16H2,1H3.
What are the key properties of 4-[1-(cyclohexylmethoxy)ethyl]aniline?
4-[1-(cyclohexylmethoxy)ethyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclohexylmethoxy)ethyl]aniline is sourced from PubChem (CID 57106208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).